6-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methoxy]-N-hydroxyhexanamide

C32H30ClFN4O5 — CID 24944682

About 6-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methoxy]-N-hydroxyhexanamide

6-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methoxy]-N-hydroxyhexanamide (PubChem CID 24944682) has the molecular formula C32H30ClFN4O5 and a molecular weight of 605.07 g/mol. Its IUPAC name is 6-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methoxy]-N-hydroxyhexanamide.

Molecular Properties

• Compound Name: 6-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methoxy]-N-hydroxyhexanamide
• PubChem CID: 24944682
• Molecular Formula: C32H30ClFN4O5
• Molecular Weight: 605.07 g/mol
• Exact Mass: 604.19
• IUPAC Name: 6-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methoxy]-N-hydroxyhexanamide
• SMILES: O=C(CCCCCOCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1)NO
• InChI: InChI=1S/C32H30ClFN4O5/c33-27-17-24(9-12-30(27)42-18-21-5-4-6-23(34)15-21)37-32-26-16-22(8-11-28(26)35-20-36-32)29-13-10-25(43-29)19-41-14-3-1-2-7-31(39)38-40/h4-6,8-13,15-17,20,40H,1-3,7,14,18-19H2,(H,38,39)(H,35,36,37)
• InChIKey: FTACHUNUQJRPRL-UHFFFAOYSA-N
• XLogP: 7.59
• TPSA: 118.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.07
LogP ≤ 5	7.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methoxy]-N-hydroxyhexanamide?

The IUPAC name of 6-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methoxy]-N-hydroxyhexanamide (CID 24944682) is 6-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methoxy]-N-hydroxyhexanamide.

What is the SMILES notation for 6-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methoxy]-N-hydroxyhexanamide?

The canonical SMILES for 6-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methoxy]-N-hydroxyhexanamide is O=C(CCCCCOCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1)NO.

What is the InChIKey of 6-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methoxy]-N-hydroxyhexanamide?

The InChIKey is FTACHUNUQJRPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClFN4O5/c33-27-17-24(9-12-30(27)42-18-21-5-4-6-23(34)15-21)37-32-26-16-22(8-11-28(26)35-20-36-32)29-13-10-25(43-29)19-41-14-3-1-2-7-31(39)38-40/h4-6,8-13,15-17,20,40H,1-3,7,14,18-19H2,(H,38,39)(H,35,36,37).

What are the key properties of 6-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methoxy]-N-hydroxyhexanamide?

6-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methoxy]-N-hydroxyhexanamide has a molecular weight of 605.07 g/mol, XLogP of 7.59, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methoxy]-N-hydroxyhexanamide is sourced from PubChem (CID 24944682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).